Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(3,4-Dihydroxy-phen-yl)-2-(4-fluoro-phen-yl)ethanone.

ABSTRACT: In the title compound, C(14)H(11)FO(3), the dihedral angle between the aromatic rings is 69.11 (8)°. An intra-molecular O-H⋯O hydrogen bond is present. Inter-molecular O-H⋯O inter-actions help to establish the packing.

SUBMITTER: Song XQ

PROVIDER: S-EPMC2959813 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(3,4-Dihydroxy-phen-yl)-2-(4-fluoro-phen-yl)ethanone.

Song Xiao-Qing XQ

Acta crystallographica. Section E, Structure reports online 20081108 Pt 12

In the title compound, C(14)H(11)FO(3), the dihedral angle between the aromatic rings is 69.11 (8)°. An intra-molecular O-H⋯O hydrogen bond is present. Inter-molecular O-H⋯O inter-actions help to establish the packing. ...[more]

PMID: 21581262

Similar Datasets

1-(3,4-Dihydroxy-phen-yl)-2-(4-hydroxy-phen-yl)ethanone.

Project description:The title compound, C(14)H(12)O(4), is a deoxy-benzoin derivative in which the dihedral between the carbonyl group and the catechol unit is 5.99?(3)°. The dihedral angle between the two benzene rings is 60.26?(13)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds connect mol-ecules, forming a two-dimensional network. In addition, weak inter-molecular C-H?O hydrogen bonds and C-H?? contacts further stabilize the crystal structure.

| S-EPMC2980131 | biostudies-literature

1-(5-Chloro-2,4-dihydroxy-phen-yl)-2-(4-ethoxy-phen-yl)ethanone.

Project description:The structure of the title compound, C(16)H(15)ClO(4), contains aryl rings which are inclined by 75.6 (1)° to each other. It displays intra-molecular O-H⋯O hydrogen bonding between the 2-hydr-oxy and carbonyl groups, forming a six-membered ring. Furthermore, the 4-hydr-oxy group, acting as a hydrogen-bond donor, is bound to the O atom of the 2-hydr-oxy group of another mol-ecule.

| S-EPMC2959265 | biostudies-literature

2-Azido-1-(4-fluoro-phen-yl)ethanone.

Project description:The crystal structure of the title compound, C(8)H(6)FN(3)O, is stabilized by C-H?O hydrogen bonds, which link the mol-ecules into chains running parallel to the a axis.

| S-EPMC3344193 | biostudies-literature

(3,4-Dimeth-oxy-phen-yl)(4-fluoro-phen-yl)methanone.

Project description:In the title compound, C(15)H(13)FO(3), the dihedral angle between the two aromatic rings is 52.78 (8)°. In the crystal, inter-molecular C-H⋯O hydrogen bonds link mol-ecules into chains running parallel to the c axis.

| S-EPMC3006767 | biostudies-literature

1-(4-Fluoro-phen-yl)-2-(phenyl-sulfon-yl)ethanone.

Project description:In the title compound, C(14)H(11)FO(3)S, the unit comprising the ethanone and 4-fluoro-phenyl groups is essentially planar, with an r.m.s. deviation of 0.0084 (2) Å for the ten non-H atoms, and it makes a dihedral angle of 37.31 (10)° with the phenyl ring. In the crystal, mol-ecules are linked by pairs of weak C-H⋯O hydrogen bonds into inversion dimers with R(2) (2)(16) graph-set motifs. The dimers are stacked along the b axis through further C-H⋯O hydrogen bonds.

| S-EPMC3379257 | biostudies-literature

Isopropyl 3-(3,4-dihydroxy-phen-yl)-2-hydroxy-propanoate.

Project description:The title compound, C(12)H(16)O(5), is a derivative of β-(3,4-dihydroxy-phen-yl)-α-hydr-oxy acid. The crystal packing is stabilized by inter-molecular O-H⋯O hydrogen bonds.

| S-EPMC2979231 | biostudies-literature

1-{5-[(E)-(2-Fluoro-phen-yl)diazen-yl]-2-hy-droxy-phen-yl}ethanone.

Project description:Theere are two independent mol-ecules in the asymmetric unit of the title compound, C(14)H(11)FN(2)O(2), each with a trans configuration with respect to the azo double bond. The dihedral angle between the aromatic rings is 17.21 (2)° in one mol-ecule and 19.06 (2)° in the other. Each of the independent mol-ecules has an intra-molecular O-H⋯O hydrogen bond. In the crystal, mol-ecules are stacked along [100].

| S-EPMC3051973 | biostudies-literature

1-(4-Fluoro-phen-yl)-2-(1H-imidazol-1-yl)ethanone.

Project description:In the title compound, C(11)H(9)FN(2)O, the dihedral angle between the rings is 87.50 (4)°. In the crystal, inter-molecular C-H⋯N hydrogen bonds link the mol-ecules in a stacked arrangement along the c axis.

| S-EPMC3213485 | biostudies-literature

1-(2-Hydr-oxy-3,4-dimethoxy-phen-yl)-2-(4-methoxy-phen-yl)ethanone.

Project description:In the title compound, C(17)H(18)O(5), the pyrogallol group is almost coplanar with the mean plane of the attached carbonyl group [dihedral angle of 1.95 (13)°] and makes a dihedral angle of 56.01 (10)° with the other benzene ring. Of the three meth-oxy groups, only one is significantly twisted relative to its attached benzene ring [C-O-C-C torsion angles of 4.0 (5), 3.9 (6) and -106.3 (4)°]. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds help to establish the conformation, and the packing is consolidated by C-H⋯O inter-actions and π-π stacking interactions [centroid-centroid separation = 3.735 (2) Å].

| S-EPMC2959998 | biostudies-literature

2-(4-Bromo-phen-yl)-N-(3,4-di-fluoro-phen-yl)acetamide.

Project description:In the title compound, C14H10BrF2NO, the dihedral angle between the mean planes of the 4-bromo-phenyl and 3,4-di-fluoro-phenyl rings is 66.4 (1)°. These two planes are twisted by 40.0 (5) and 86.3 (2)°, respectively, from that of the acetamide group. In the crystal, N-H⋯O hydrogen bonds and weak C-H⋯O and C-H⋯F inter-actions form infinite chains along [100].

| S-EPMC3685057 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data